Identification Chemical Properties Hazard Information Related Products

2894-61-3

Name 7-bromo-5-phenyl-1,2-dihydro-2H-1,4-benzodiazepin-2-one
CAS 2894-61-3
EINECS(EC#) 200-838-9
Molecular Formula C15H11BrN2O
MDL Number MFCD00433892
Molecular Weight 315.16
MOL File 2894-61-3.mol

Chemical Properties

Melting point  220-221 °C(Solv: ethyl ether (60-29-7))
Boiling point  464.8±45.0 °C(Predicted)
density  1.51±0.1 g/cm3(Predicted)
solubility  DMF: 5 mg/mL; DMSO: 5 mg/mL; Ethanol: Slightly soluble; PBS (pH 7.2): 0.12 mg/mL
form  A solid
pka 11.72±0.70(Predicted)
InChI InChI=1S/C15H11BrN2O/c16-11-6-7-13-12(8-11)15(17-9-14(19)18-13)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19)
InChIKey ATCCWKYKHCKDGT-UHFFFAOYSA-N
SMILES N1C2=CC=C(Br)C=C2C(C2=CC=CC=C2)=NCC1=O

Hazard Information